CID 53707

77656-17-8

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₂

SMILES

CCN(CC)CCOC(=O)NC1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C16H26N2O2/c1-6-18(7-2)8-9-20-16(19)17-15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3,(H,17,19)

InChIKey

VJULALUFTDTZCQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl N-(2,4,6-trimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.19943 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.206706	169.5
[M+Na]+	301.188648	175.2
[M-H]-	277.192154	174.4
[M+NH4]+	296.233253	186.4
[M+K]+	317.162588	174.0
[M+H-H2O]+	261.196690	162.0
[M+HCOO]-	323.197631	193.9
[M+CH3COO]-	337.213281	212.0
[M+Na-2H]-	299.174096	170.3
[M]+	278.19888142	174.2
[M]-	278.19997858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe